General Information of the Compound
| Compound ID |
CP0543368
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| Compound Name |
US10047103, 253
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| Structure |
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| Formula |
C24H23N5O4S
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| Molecular Weight |
477.546
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| Canonical SMILES |
COc1cc(OCc2csc(n2)N2CC[C@@H](O)C2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C24H23N5O4S/c1-14-3-4-23-26-19(11-29(23)27-14)22-9-18-20(7-17(31-2)8-21(18)33-22)32-12-15-13-34-24(25-15)28-6-5-16(30)10-28/h3-4,7-9,11,13,16,30H,5-6,10,12H2,1-2H3/t16-/m1/s1
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| InChIKey |
OWWBBEJEQBVODJ-MRXNPFEDSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound